el1:  Mg
struct:  hcp
lp:  3.2027793
catoi:  0.991824332358
ecoh:  1.51011430257
surf:  10m10
size:  (1.0, 2.0, 7.0)
vacuum:  4.0
orig
n1: 14
ene1: -19.320565
ene1pa: -1.38004035714
esub: -1.51011430257
sarea1:  16.6139596213
esurff1:  878.062763863  mJ/m^2
relaxed
ene2m: -19.359103
ene2mpa: -1.38279307143
sarea2:  16.6139596213
esurff2m:  859.480595806  mJ/m^2
